(2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine

C20H22F3N5 — CID 162596468

IUPAC(2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine
SMILESC=C(/C=C\C=C(/C)N)C(C)NNc1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22F3N5/c1-13(8-7-9-14(2)24)15(3)27-28-18-12-17(20(21,22)23)25-19(26-18)16-10-5-4-6-11-16/h4-12,15,27H,1,24H2,2-3H3,(H,25,26,28)/b8-7-,14-9+
InChIKeyYKTGHPXAXDMJMM-JEHBAHQJSA-N
MW389.43 g/mol
LogP4.44
Rot. Bonds7

About (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine

(2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine (PubChem CID 162596468) has the molecular formula C20H22F3N5 and a molecular weight of 389.43 g/mol. Its IUPAC name is (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine
PubChem CID162596468
Molecular FormulaC20H22F3N5
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name(2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine
SMILESC=C(/C=C\C=C(/C)N)C(C)NNc1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22F3N5/c1-13(8-7-9-14(2)24)15(3)27-28-18-12-17(20(21,22)23)25-19(26-18)16-10-5-4-6-11-16/h4-12,15,27H,1,24H2,2-3H3,(H,25,26,28)/b8-7-,14-9+
InChIKeyYKTGHPXAXDMJMM-JEHBAHQJSA-N
XLogP4.44
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine (CID 162596468) is (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine is C=C(/C=C\C=C(/C)N)C(C)NNc1cc(C(F)(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine?
The InChIKey is YKTGHPXAXDMJMM-JEHBAHQJSA-N. The full InChI is InChI=1S/C20H22F3N5/c1-13(8-7-9-14(2)24)15(3)27-28-18-12-17(20(21,22)23)25-19(26-18)16-10-5-4-6-11-16/h4-12,15,27H,1,24H2,2-3H3,(H,25,26,28)/b8-7-,14-9+.
What are the key properties of (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine?
(2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine has a molecular weight of 389.43 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methylidene-7-[2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]hydrazinyl]octa-2,4-dien-2-amine is sourced from PubChem (CID 162596468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).